1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene

C32H22S — CID 156553110

IUPAC1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
SMILESc1ccc(-c2cccc(-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C32H22S/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)31-29-20-9-10-21-30(29)32(33-31)28-19-8-7-18-27(28)24-14-5-2-6-15-24/h1-22H
InChIKeyOWLSMGMWQPRRAY-UHFFFAOYSA-N
MW438.60 g/mol
LogP9.57
Rot. Bonds4

About 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene

1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene (PubChem CID 156553110) has the molecular formula C32H22S and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene.

Molecular Properties

Compound Name1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
PubChem CID156553110
Molecular FormulaC32H22S
Molecular Weight438.60 g/mol
Exact Mass438.14
IUPAC Name1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
SMILESc1ccc(-c2cccc(-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C32H22S/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)31-29-20-9-10-21-30(29)32(33-31)28-19-8-7-18-27(28)24-14-5-2-6-15-24/h1-22H
InChIKeyOWLSMGMWQPRRAY-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553641
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole
CID 156552774
1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553232
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553127
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156552973
9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706319
4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
CID 156553424

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene?
The IUPAC name of 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene (CID 156553110) is 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene.
What is the SMILES notation for 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene?
The canonical SMILES for 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene is c1ccc(-c2cccc(-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)c2)cc1.
What is the InChIKey of 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene?
The InChIKey is OWLSMGMWQPRRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22S/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)31-29-20-9-10-21-30(29)32(33-31)28-19-8-7-18-27(28)24-14-5-2-6-15-24/h1-22H.
What are the key properties of 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene?
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene has a molecular weight of 438.60 g/mol, XLogP of 9.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene is sourced from PubChem (CID 156553110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).